(3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene

C16H18F4O2 — CID 145420647

IUPAC(3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene
SMILESC=C(OC)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)CCOC
InChIInChI=1S/C16H18F4O2/c1-9(7-8-21-5)13(17)14(18)10(2)11(3)15(19)16(20)12(4)22-6/h1-4,7-8H2,5-6H3/b14-13-,16-15-
InChIKeyUYPHEIIJJMGKGX-RFIZXXDFSA-N
MW318.31 g/mol
LogP5.15
Rot. Bonds9

About (3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene

(3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene (PubChem CID 145420647) has the molecular formula C16H18F4O2 and a molecular weight of 318.31 g/mol. Its IUPAC name is (3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene.

Molecular Properties

Compound Name(3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene
PubChem CID145420647
Molecular FormulaC16H18F4O2
Molecular Weight318.31 g/mol
Exact Mass318.12
IUPAC Name(3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene
SMILESC=C(OC)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)CCOC
InChIInChI=1S/C16H18F4O2/c1-9(7-8-21-5)13(17)14(18)10(2)11(3)15(19)16(20)12(4)22-6/h1-4,7-8H2,5-6H3/b14-13-,16-15-
InChIKeyUYPHEIIJJMGKGX-RFIZXXDFSA-N
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.31
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene with MolForge

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Related Compounds

(4Z,8Z)-4,5,8,9-tetrafluoro-1,12-dimethoxy-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 145420672
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CID 145420651
2,2,2-trifluoroethyl 4-methoxy-2-methylidenebutanoate
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CID 176948900
5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one)
CID 91201755
methyl 7-methoxy-2-methylideneheptanoate
CID 20669689
1-methoxy-6-methylhept-6-en-3-one
CID 114473504
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine
CID 169113962
3-(4-methoxy-2-oxobutoxy)carbonylbut-3-enoic acid
CID 154229295
ethane;3-methoxy-N-methylpropanamide
CID 178014406
1,1,1-trifluoro-4-methoxybutan-2-one
CID 62962965

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene?
The IUPAC name of (3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene (CID 145420647) is (3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene.
What is the SMILES notation for (3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene?
The canonical SMILES for (3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene is C=C(OC)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)CCOC.
What is the InChIKey of (3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene?
The InChIKey is UYPHEIIJJMGKGX-RFIZXXDFSA-N. The full InChI is InChI=1S/C16H18F4O2/c1-9(7-8-21-5)13(17)14(18)10(2)11(3)15(19)16(20)12(4)22-6/h1-4,7-8H2,5-6H3/b14-13-,16-15-.
What are the key properties of (3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene?
(3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene has a molecular weight of 318.31 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene is sourced from PubChem (CID 145420647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).